3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine

C12H12ClN3O — CID 22036424

IUPAC3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
SMILESClc1nccnc1NCCOc1ccccc1
InChIInChI=1S/C12H12ClN3O/c13-11-12(15-7-6-14-11)16-8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16)
InChIKeyOMDGNKYONNCRNI-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.62
Rot. Bonds5

About 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine

3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine (PubChem CID 22036424) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
PubChem CID22036424
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
SMILESClc1nccnc1NCCOc1ccccc1
InChIInChI=1S/C12H12ClN3O/c13-11-12(15-7-6-14-11)16-8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16)
InChIKeyOMDGNKYONNCRNI-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine (CID 22036424) is 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine is Clc1nccnc1NCCOc1ccccc1.
What is the InChIKey of 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
The InChIKey is OMDGNKYONNCRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-12(15-7-6-14-11)16-8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16).
What are the key properties of 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-phenoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 22036424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).